Geometry & MOs

Info

ID:	8672
PubChem CID:	80144
Reduced:	NSC35H47 (1)
Stoich.:	ABC35D47 (1)
Weight, g/mol:	513.342922
ΔH_f, kcal/mol:	-1.6
Dipole, Da:	0.94
IP(EA), eV:	-7.9(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-benzyl-3,7-dioctylphenothiazine

Drug info:

PubChemData

Smile

CCCCCCCCC1=CC2=C(C=C1)N(C3=C(S2)C=C(C=C3)CCCCCCCC)CC4=CC=CC=C4

DOS

IR

Vibrations